5606-4390 Screening compound: (5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5606-4390 Screening compound: (5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5606-4390 Screening compound: (5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5606-4390
(5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5606-4390

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

(5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(pyridin-4-yl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCCCOc(ccc(/C=C1\Sc2nc(-c3ccncc3)nn2C1=O)c1)c1OCC

InChI

InChI=1S/C22H22N4O3S/c1-3-5-12-29-17-7-6-15(13-18(17)28-4-2)14-19-21(27)26-22(30-19)24-20(25-26)16-8-10-23-11-9-16/h6-11,13-14H,3-5,12H2,1-2H3

InChI Key

SIESPUIWLKGGQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03663159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.081

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.08

Polar Surface Area

61.339

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 5606-4390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5606-4390?
Check Price and Availability of 5606-4390, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5606-4390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5606-4390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5606-4390
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5606-4390 available by request